methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate

C15H19NO5 — CID 135011562

IUPACmethyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)[C@@H](O)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-15(14(19)21-3)12(17)8-13(18)16(15)9-10-4-6-11(20-2)7-5-10/h4-7,12,17H,8-9H2,1-3H3/t12-,15+/m0/s1
InChIKeyARAKSEGUBQTDRQ-SWLSCSKDSA-N
MW293.32 g/mol
LogP0.72
Rot. Bonds4

About methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate

methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 135011562) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID135011562
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)[C@@H](O)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-15(14(19)21-3)12(17)8-13(18)16(15)9-10-4-6-11(20-2)7-5-10/h4-7,12,17H,8-9H2,1-3H3/t12-,15+/m0/s1
InChIKeyARAKSEGUBQTDRQ-SWLSCSKDSA-N
XLogP0.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate
CID 135011560
dimethyl (3E)-3-ethylidene-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2,2-dicarboxylate
CID 102473907
(1R,5S,6S)-7,7-dibromo-2-[(4-methoxyphenyl)methyl]-1,5-dimethyl-2-azabicyclo[4.1.0]heptan-3-one
CID 11732485
methyl (2S)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-(2-phenylethyl)azetidine-2-carboxylate
CID 102387644
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125
methyl (3S)-3-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 97160611
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1,4-dioxo-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 143555576
2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate (CID 135011562) is methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@@]1(C)[C@@H](O)CC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ARAKSEGUBQTDRQ-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(14(19)21-3)12(17)8-13(18)16(15)9-10-4-6-11(20-2)7-5-10/h4-7,12,17H,8-9H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 135011562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).